methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate

C11H19N3O3 — CID 106401863

IUPACmethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
SMILESCCCCC(NCCc1ncno1)C(=O)OC
InChIInChI=1S/C11H19N3O3/c1-3-4-5-9(11(15)16-2)12-7-6-10-13-8-14-17-10/h8-9,12H,3-7H2,1-2H3
InChIKeyJASXDNUOUBNUFI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds8

About methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate

methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate (PubChem CID 106401863) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
PubChem CID106401863
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
SMILESCCCCC(NCCc1ncno1)C(=O)OC
InChIInChI=1S/C11H19N3O3/c1-3-4-5-9(11(15)16-2)12-7-6-10-13-8-14-17-10/h8-9,12H,3-7H2,1-2H3
InChIKeyJASXDNUOUBNUFI-UHFFFAOYSA-N
XLogP0.93
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 114184488
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397573
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
ethyl 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399552
methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
methyl 2-[[(E)-pent-3-enyl]amino]hexanoate
CID 103265585

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate?
The IUPAC name of methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate (CID 106401863) is methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate.
What is the SMILES notation for methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate?
The canonical SMILES for methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate is CCCCC(NCCc1ncno1)C(=O)OC.
What is the InChIKey of methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate?
The InChIKey is JASXDNUOUBNUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-4-5-9(11(15)16-2)12-7-6-10-13-8-14-17-10/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate?
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate has a molecular weight of 241.29 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate is sourced from PubChem (CID 106401863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).